3-[(3-cyano-4-phenyl-phenyl)methyl-propyl-carbamoyl]benzoic acid

Systemtic Name: 3-[(3-cyano-4-phenyl-phenyl)methyl-propyl-carbamoyl]benzoic acid Openeye Name: 3-[(3-cyano-4-phenyl-phenyl)methyl-propyl-carbamoyl]benzoic acid CAS Name: 3-[[(3-cyano-4-phenylphenyl)methyl-propylamino]-oxomethyl]benzoic acid IUPAC Name: 3-[(3-cyano-4-phenylphenyl)methyl-propylcarbamoyl]benzoic acid Traditional Name: 3-[(3-cyano-4-phenyl-benzyl)-propyl-carbamoyl]benzoic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C25H22N2O3/c1-2-13-27(24(28)20-9-6-10-21(15-20)25(29)30)17-18-11-12-23(22(14-18)16-26)19-7-4-3-5-8-19/h3-12,14-15H,2,13,17H2,1H3,(H,29,30)